Details of the Drug

General Information of Drug (ID: DMIDUB4)

• Drug Name: Acyl piperidine derivative 3
• Synonyms: PMID26560530-Compound-45
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 426.3
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H28BrN3O3
  IUPAC Name: N-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-oxoethyl]-2-bromoacetamide
  Canonical SMILES: C1CN(CCN1C(=O)CNC(=O)CBr)C(=O)C23CC4CC(C2)CC(C4)C3
  InChI: InChI=1S/C19H28BrN3O3/c20-11-16(24)21-12-17(25)22-1-3-23(4-2-22)18(26)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2,(H,21,24)
  InChIKey: SCSKGYPISIGLDU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 73775396
  TTD ID: D01EKS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tissue transglutaminase (TG2)	TT2F4OL	TGM2_HUMAN	Inhibitor	[1]

References

• [1] Transglutaminase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):49-63.